2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide

C10H12N6O2 — CID 136986806

IUPAC2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide
SMILESCc1cc(Oc2nccc(/C(N)=N/O)n2)n(C)n1
InChIInChI=1S/C10H12N6O2/c1-6-5-8(16(2)14-6)18-10-12-4-3-7(13-10)9(11)15-17/h3-5,17H,1-2H3,(H2,11,15)
InChIKeyHIGRHEDRYHFWSL-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.41
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide

2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide (PubChem CID 136986806) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide
PubChem CID136986806
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide
SMILESCc1cc(Oc2nccc(/C(N)=N/O)n2)n(C)n1
InChIInChI=1S/C10H12N6O2/c1-6-5-8(16(2)14-6)18-10-12-4-3-7(13-10)9(11)15-17/h3-5,17H,1-2H3,(H2,11,15)
InChIKeyHIGRHEDRYHFWSL-UHFFFAOYSA-N
XLogP0.41
TPSA111.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide
CID 136678433
3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide
CID 136739765
2-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907157
2-(2,5-dimethylpyrazol-3-yl)oxypyrimidine-4-carbonitrile
CID 107546006
2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013838
N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide
CID 136907091
2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carbothioamide
CID 107548691
5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 81345751
N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide
CID 136949020
4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 114904345
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]pyrimidine-4-carboximidamide
CID 136907355
2-(2-tert-butylphenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907160

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide (CID 136986806) is 2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide is Cc1cc(Oc2nccc(/C(N)=N/O)n2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide?
The InChIKey is HIGRHEDRYHFWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-6-5-8(16(2)14-6)18-10-12-4-3-7(13-10)9(11)15-17/h3-5,17H,1-2H3,(H2,11,15).
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide?
2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide has a molecular weight of 248.25 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide is sourced from PubChem (CID 136986806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).